Fig. 5: Density functional theory calculated energy profile for the reduction process of Li+-solvates. | Nature Communications

Fig. 5: Density functional theory calculated energy profile for the reduction process of Li+-solvates.

From: Suppressing electrolyte-lithium metal reactivity via Li+-desolvation in uniform nano-porous separator

Fig. 5: Density functional theory calculated energy profile for the reduction process of Li+-solvates.

a Reduction energy of Li+-solvates Li(EC)4+ and partially desolvated species Li(EC)3+, Li(EC)2+ by density functional theory (DFT). b, c Desolvation energy of Li(EC)4+ to Li(EC)3+ and EC molecule in liquid electrolyte and UiO-66, respectively. d The reduction process of Li(EC)4+ and Li(EC)3+ and reductive decomposition process of Li(EC)4+. e Typical Li(EC)4+ reductive decomposition reactions.

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